DG(18:3n3/0:0/22:6n3)
  Mrv1652304052008202D          

 49 48  0  0  1  0            999 V2000
   24.1443   -6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1832   -7.0352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.2219   -6.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1442   -5.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2606   -7.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4330   -8.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9384   -8.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4298   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4298   -4.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7156   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0015   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2873   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4623   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7482   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0341   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2091   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4949   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7807   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9557   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2416   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5275   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7025   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9883   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2742   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4491   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7350   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0209   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1959   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4817   -4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7676   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5462   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5462   -5.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8320   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1179   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4038   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6897   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9755   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2614   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5472   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8331   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0081   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2939   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5798   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7548   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0406   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3265   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5015   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7873   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0732   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  3  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31  5  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0096686

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@@](O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC

> <INCHI_IDENTIFIER>
InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,32,34,41,44H,3-4,9-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-/m1/s1

> <INCHI_KEY>
AVJNJRMAFJIDFI-ZYQYIVQMSA-N

> <FORMULA>
C43H66O5

> <MOLECULAR_WEIGHT>
662.996

> <EXACT_MASS>
662.491025225

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
114

> <JCHEM_AVERAGE_POLARIZABILITY>
80.11918963787252

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

> <ALOGPS_LOGP>
8.39

> <JCHEM_LOGP>
12.302348191999998

> <ALOGPS_LOGS>
-7.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.631221203133645

> <JCHEM_PKA_STRONGEST_BASIC>
-3.397503845749344

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
214.55630000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
33

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.54e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0096686

> <GENERIC_NAME>
DG(18:3n3/0:0/22:6n3)

$$$$